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Information card for entry 8103129
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| Coordinates | 8103129.cif |
|---|
| Chemical name | 2'2-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate |
|---|---|
| Formula | C18 H34 N4 O11 S |
| Calculated formula | C18 H34 N4 O11 S |
| Title of publication | Crystal structure of 2,2'-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate, [C18H20N4][SO4] · 7H2O |
| Authors of publication | Wei-Xing Zhao; Hong-Bo Jiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 335 |
| a | 11.168 ± 0.004 Å |
| b | 13.022 ± 0.004 Å |
| c | 17.743 ± 0.006 Å |
| α | 90° |
| β | 100.899 ± 0.004° |
| γ | 90° |
| Cell volume | 2533.8 ± 1.5 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0914 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
8103129.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103129.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103129.cif |
| 29087 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103129 via cif-deposit CGI script. |
8103129.cif |
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Users of the data should acknowledge the original authors of the
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